Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.48 |
| ▸ | GUSB | P08236 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12696992 | 0.81 | PARP1 (0.58) | HTR2CPARP1PARP2ALDH1A1MAPT | |
| SCHEMBL14721701 | 0.81 | PARP1 (0.49) | HTR2CGUSBHTR1APBRM1HTR2A | |
| SCHEMBL30640419 | 0.79 | HTR2C (0.51) | HTR2CGUSBHTR1APBRM1HTR2A | |
| SCHEMBL3600762 | 0.79 | HTR2C (0.51) | HTR2CGUSBHTR1APBRM1HTR2A | |
| SCHEMBL3600768 | 0.79 | HTR2C (0.51) | HTR2CGUSBHTR1APBRM1HTR2A | |
| SCHEMBL20956921 | 0.78 | ABCC9 (0.42) | — | |
| SCHEMBL10244400 | 0.76 | SLC6A3 (0.53) | ALDH1A1MAPTHTTTSHR | |
| SCHEMBL3584299 | 0.75 | HTR1A (0.48) | HTR2CGUSBHTR1APBRM1HTR2A | |
| SCHEMBL29144910 | 0.75 | HTR1A (0.48) | HTR2CGUSBHTR1APBRM1HTR2A | |
| SCHEMBL3584104 | 0.75 | HTR1A (0.48) | HTR2CGUSBHTR1APBRM1HTR2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765793-B1 | ANACETRAPIB AND OTHER CETP INHIBITPRS | MERCK SHARP & DOHME (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2415759-A1 | CETP inhibitors | Merck Sharp & Dohme Corporation (US) | 2012-02-08 | — | — | EP | disclosed |